3-[(2-methylphenyl)methylsulfanylmethyl]-7-(4-phenylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-quinoxalin-2-one

Systemtic Name: 3-[(2-methylphenyl)methylsulfanylmethyl]-7-(4-phenylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-(o-tolylmethylsulfanylmethyl)-7-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[[(2-methylphenyl)methylthio]methyl]-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(2-methylphenyl)methylsulfanylmethyl]-7-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[[(2-methylbenzyl)thio]methyl]-7-(4-phenylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CSCC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4O2S/c1-20-7-5-6-8-22(20)18-35-19-26-27(33)30-25-17-21(11-12-24(25)29-26)28(34)32-15-13-31(14-16-32)23-9-3-2-4-10-23/h2-12,17,26,29H,13-16,18-19H2,1H3,(H,30,33)